CID 83988931

1557668-04-8

Structural Information

Molecular Formula
C9H8F4O2
SMILES
CC(C1=C(C=CC(=C1)OC(F)(F)F)F)O
InChI
InChI=1S/C9H8F4O2/c1-5(14)7-4-6(2-3-8(7)10)15-9(11,12)13/h2-5,14H,1H3
InChIKey
STIYUKDOIGIVAY-UHFFFAOYSA-N
Compound name
1-[2-fluoro-5-(trifluoromethoxy)phenyl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.04604 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.05332 141.0
[M+Na]+ 247.03526 150.2
[M-H]- 223.03876 138.7
[M+NH4]+ 242.07986 158.9
[M+K]+ 263.00920 147.7
[M+H-H2O]+ 207.04330 132.6
[M+HCOO]- 269.04424 157.7
[M+CH3COO]- 283.05989 186.7
[M+Na-2H]- 245.02071 144.4
[M]+ 224.04549 136.6
[M]- 224.04659 136.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.